| CAS Number | 1803583-89-2 |
| Catalog Number | AG01AV0H |
| Chemical Name | 2-[(4-AMINOCYCLOHEXYL)OXY]PYRIDINE-3-CARBONITRILE HYDROCHLORIDE |
| IUPAC Name | 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile;hydrochloride |
| InChI | InChI=1S/C12H15N3O.ClH/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11;/h1-2,7,10-11H,3-6,14H2;1H |
| InChI Key | QOHPGAWJPISPHH-UHFFFAOYSA-N |
| MDL Number | MFCD27959408 |
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.7279 |
| SMILES | Cl.NC1CCC(CC1)OC1=C(C#N)C=CC=N1 |
| Synonyms | 2-[(4-aminocyclohexyl)oxy]pyridine-3-carbonitrile hydrochloride,
1803583-89-2,
EN300-159883,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.73g/mol |
| Monoisotopic Mass | 253.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number